2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one

Name: 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₂ClFN₄O — CID 156896984

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one

SMILESO=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1

InChIInChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24)

InChIKeyDJQITRIVYJKNKX-UHFFFAOYSA-N

MW366.78 g/mol

LogP4.32

Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one

2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one (PubChem CID 156896984) has the molecular formula C₁₉H₁₂ClFN₄O and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name	2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
PubChem CID	156896984
Molecular Formula	C₁₉H₁₂ClFN₄O
Molecular Weight	366.78 g/mol
Exact Mass	366.07
IUPAC Name	2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
SMILES	O=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1
InChI	InChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24)
InChIKey	DJQITRIVYJKNKX-UHFFFAOYSA-N
XLogP	4.32
TPSA	59.81 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.78
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?

The IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one (CID 156896984) is 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one.

What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?

The canonical SMILES for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one is O=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1.

What is the InChIKey of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?

The InChIKey is DJQITRIVYJKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24).

What are the key properties of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?

2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one has a molecular weight of 366.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one is sourced from PubChem (CID 156896984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156896984 — identifiers, structure, computed properties (public domain)

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